N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide

C9H4BrCl2FN2O — CID 168521570

IUPACN-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1c(Br)cc(Cl)c(Cl)c1F
InChIInChI=1S/C9H4BrCl2FN2O/c10-4-3-5(11)7(12)8(13)9(4)15-6(16)1-2-14/h3H,1H2,(H,15,16)
InChIKeyJGNOWOIQCZYDBV-UHFFFAOYSA-N
MW325.95 g/mol
LogP3.75
Rot. Bonds2

About N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide

N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide (PubChem CID 168521570) has the molecular formula C9H4BrCl2FN2O and a molecular weight of 325.95 g/mol. Its IUPAC name is N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
PubChem CID168521570
Molecular FormulaC9H4BrCl2FN2O
Molecular Weight325.95 g/mol
Exact Mass323.89
IUPAC NameN-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1c(Br)cc(Cl)c(Cl)c1F
InChIInChI=1S/C9H4BrCl2FN2O/c10-4-3-5(11)7(12)8(13)9(4)15-6(16)1-2-14/h3H,1H2,(H,15,16)
InChIKeyJGNOWOIQCZYDBV-UHFFFAOYSA-N
XLogP3.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.95
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-(2,4-dibromo-6-chloro-3-fluorophenyl)acetamide
CID 168521788
N-(2-bromo-3,5-dichloro-4-fluorophenyl)-2-cyanoacetamide
CID 168522300
N-(3-bromo-6-chloro-2-cyanophenyl)-2-cyanoacetamide
CID 168523742
2-cyano-N-(2,6-dichloro-4-cyanophenyl)acetamide
CID 168524089
2-cyano-N-(2,4-dibromo-6-methylphenyl)acetamide
CID 168520217
N-(4-bromo-2,3-difluoro-6-nitrophenyl)-2-cyanoacetamide
CID 168522473
2-cyano-N-[2,3,6-trichloro-4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 168522275
N-(6-chloro-2-fluoro-3-methoxyphenyl)-2-cyanoacetamide
CID 168521238
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(2-bromo-5-fluorophenyl)-2-cyanoacetamide
CID 83317310

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide?
The IUPAC name of N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide (CID 168521570) is N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide.
What is the SMILES notation for N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide?
The canonical SMILES for N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide is N#CCC(=O)Nc1c(Br)cc(Cl)c(Cl)c1F.
What is the InChIKey of N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide?
The InChIKey is JGNOWOIQCZYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2FN2O/c10-4-3-5(11)7(12)8(13)9(4)15-6(16)1-2-14/h3H,1H2,(H,15,16).
What are the key properties of N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide?
N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide has a molecular weight of 325.95 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3,4-dichloro-2-fluorophenyl)-2-cyanoacetamide is sourced from PubChem (CID 168521570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).